[1-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-azanylethanoate

Systemtic Name: [1-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-azanylethanoate Openeye Name: [1-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [1-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclopentyl] ester IUPAC Name: [1-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [1-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)OC(=O)CN

Isomeric SMILES

C1CCC(C1)(N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)OC(=O)CN

InChI

InChI=1S/C25H25N5O3/c26-14-21(31)33-25(12-4-5-13-25)30-15-20(22-23(27)28-16-29-24(22)30)17-8-10-19(11-9-17)32-18-6-2-1-3-7-18/h1-3,6-11,15-16H,4-5,12-14,26H2,(H2,27,28,29)